ChemSpider 2D Image | 4-Cumylphenyl methacrylate | C19H20O2

4-Cumylphenyl methacrylate

  • Molecular FormulaC19H20O2
  • Average mass280.361 Da
  • Monoisotopic mass280.146332 Da
  • ChemSpider ID99008

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

270-512-9 [EINECS]
2-Propenoic acid, 2-methyl-, 4-(1-methyl-1-phenylethyl)phenyl ester [ACD/Index Name]
4-(1-Methyl-1-phenylethyl)phenyl 2-methyl-2-propenoate
4-(2-Phenyl-2-propanyl)phenyl methacrylate [ACD/IUPAC Name]
4-(2-Phenyl-2-propanyl)phenylmethacrylat [German] [ACD/IUPAC Name]
4-(2-Phenylpropan-2-yl)phenyl methacrylate
4-Cumylphenyl methacrylate
68443-35-6 [RN]
Méthacrylate de 4-(2-phényl-2-propanyl)phényle [French] [ACD/IUPAC Name]
p-Cumylphenyl methacrylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 396.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 167.1±19.7 °C
Index of Refraction: 1.543
Molar Refractivity: 84.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3414.83
ACD/KOC (pH 5.5): 11770.10
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3414.83
ACD/KOC (pH 7.4): 11770.10
Polar Surface Area: 26 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 268.2±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  5.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  362.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  111.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.41E-006  (Modified Grain method)
    Subcooled liquid VP: 6.69E-005 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.7004
       log Kow used: 5.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.17596 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Methacrylates

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.41E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.956E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.10  (KowWin est)
  Log Kaw used:  -3.464  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.564
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7324
   Biowin2 (Non-Linear Model)     :   0.9602
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5297  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5236  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3770
   Biowin6 (MITI Non-Linear Model):   0.1785
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3527
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00892 Pa (6.69E-005 mm Hg)
  Log Koa (Koawin est  ): 8.564
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000336 
       Octanol/air (Koa) model:  8.99E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.012 
       Mackay model           :  0.0262 
       Octanol/air (Koa) model:  0.00714 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.9116 E-12 cm3/molecule-sec
      Half-Life =     0.413 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.953 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi): 0.0191 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.83E+004
      Log Koc:  4.583 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.759E-002  L/mol-sec
  Kb Half-Life at pH 8:     290.792  days   
  Kb Half-Life at pH 7:       7.961  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.229 (BCF = 1693)
       log Kow used: 5.10 (estimated)

 Volatilization from Water:
    Henry LC:  8.41E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      118.3  hours   (4.928 days)
    Half-Life from Model Lake :       1431  hours   (59.61 days)

 Removal In Wastewater Treatment:
    Total removal:              80.66  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    79.89  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.214           7.03         1000       
   Water     10.6            900          1000       
   Soil      59.1            1.8e+003     1000       
   Sediment  30.1            8.1e+003     0          
     Persistence Time: 1.47e+003 hr

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